4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide

C22H20N4O — CID 109212660

IUPAC4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccnc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C22H20N4O/c1-2-26(16-17-7-4-3-5-8-17)20-11-12-24-21(14-20)22(27)25-19-10-6-9-18(13-19)15-23/h3-14H,2,16H2,1H3,(H,25,27)
InChIKeyJOLJKWSJUKGCTJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.23
Rot. Bonds6

About 4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide

4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide (PubChem CID 109212660) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
PubChem CID109212660
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccnc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C22H20N4O/c1-2-26(16-17-7-4-3-5-8-17)20-11-12-24-21(14-20)22(27)25-19-10-6-9-18(13-19)15-23/h3-14H,2,16H2,1H3,(H,25,27)
InChIKeyJOLJKWSJUKGCTJ-UHFFFAOYSA-N
XLogP4.23
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
CID 109216610
4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109212643
4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086241
4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109217911
N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194832
4-[benzyl(ethyl)amino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109212623
4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109201321
5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109195491
4-[benzyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109212665
4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109212657
4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212580
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide (CID 109212660) is 4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide is CCN(Cc1ccccc1)c1ccnc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of 4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is JOLJKWSJUKGCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-2-26(16-17-7-4-3-5-8-17)20-11-12-24-21(14-20)22(27)25-19-10-6-9-18(13-19)15-23/h3-14H,2,16H2,1H3,(H,25,27).
What are the key properties of 4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide?
4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109212660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).